Geometry & MOs

Info

ID:

120265

PubChem CID:

50720414

Reduced:

Cl2O5N6C31H40 (1)

Stoich.:

A2B5C6D31E40 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-232.27

Dipole, Da:

10.44

IP(EA), eV:

 -9.0(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations